SCHEMBL837035

SCHEMBL837035

CCCCCCCCCN(C(=NCCN=C(NC(=N)N)N(CCCCCCCCC)c1ccccc1)NC(=N)N)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
PAX8 Q06710 2/20 0.47
JAK2 O60674 1/20 0.47
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 3/20 0.37
ADRB2 P07550 1/20 0.37
TP53 P04637 3/20 0.35
GPX4 P36969 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
ICMT O60725 1/20 0.34
ALB P02768 1/20 0.34
NAAA Q02083 2/20 0.33
KCNH2 Q12809 1/20 0.33
TACR1 P25103 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL837034 1.00 NPC1 (0.47) NPC1RAB9APAX8JAK2MEN1
SCHEMBL835337 0.95 MEN1 (0.43) NPC1RAB9APAX8JAK2MEN1
SCHEMBL835336 0.95 MEN1 (0.43) NPC1RAB9APAX8JAK2MEN1
SCHEMBL27571662 0.93 NPC1 (0.41) NPC1RAB9APAX8JAK2MEN1
SCHEMBL27571661 0.90 MEN1 (0.43) NPC1RAB9APAX8JAK2MEN1
SCHEMBL3191188 0.87 MEN1 (0.39) NPC1RAB9APAX8JAK2MEN1
SCHEMBL1705232 0.87 MEN1 (0.39) NPC1RAB9APAX8JAK2MEN1
SCHEMBL1248768 0.85 MEN1 (0.39) NPC1RAB9APAX8JAK2MEN1
SCHEMBL2163503 0.85 MEN1 (0.39) NPC1RAB9APAX8JAK2MEN1
SCHEMBL7761053 0.85 NPC1 (0.36) NPC1RAB9APAX8JAK2MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 230 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3174446-B1 A METHOD OF MANUAL SURFACE CLEANING USING CLEANING TEXTILES AND OF WASHING SAID CLEANING TEXTILES ECOLAB USA INC (US) 2019-01-30 EP disclosed
US-20170209016-A1 METHOD OF MANUAL SURFACE CLEANING USING CLEANING TEXTILES AND OF WASHING SAID CLEANING TEXTILES ECOLAB USA INC. 2017-07-27 US disclosed
EP-3174446-A1 A METHOD OF MANUAL SURFACE CLEANING USING CLEANING TEXTILES AND OF WASHING SAID CLEANING TEXTILES Ecolab USA Inc. (US) 2017-06-07 EP disclosed
EP-3083916-A1 DISINFECTANT COMPOSITION WITH EXCELLENT FOAM PROFILE AND CLEANING POWER Henkel AG & Co. KGaA (DE) 2016-10-26 EP disclosed
US-9353361-B2 Alpha-amylase variants stabilized against dimerization and/or multimerization, method for the production thereof, and detergents and cleansers containing these alpha-amylase variants BASF SE (DE) 2016-05-31 US disclosed
EP-1794292-B1 ALPHA-AMYLASE VARIANTS STABILIZED AGAINST DIMERIZATION AND/OR MULTIMERIZATION, METHOD FOR THE PRODUCTION THEREOF, AND DETERGENTS AND CLEANSERS CONTAINING THESE ALPHA-AMYLASE VARIANTS BASF SE (DE) 2015-12-30 EP disclosed
WO-2015091163-A1 DISINFECTANT COMPOSITION WITH EXCELLENT FOAM PROFILE HENKEL AG & CO. KGAA (DE) 2015-06-25 WO disclosed
WO-2015091164-A1 DISINFECTANT COMPOSITION WITH EXCELLENT FOAM PROFILE AND CLEANING POWER HENKEL AG & CO. KGAA (DE) 2015-06-25 WO disclosed
US-20150118733-A1 Alpha-Amylase Variants Stabilized Against Dimerization and/or Multimerization, Method for the Production Thereof, and Detergents and Cleansers Containing these Alpha-Amylase Variants BASF SE (DE) 2015-04-30 US disclosed
US-8785365-B2 Alpha-amylase variants stabilized against dimerization and/or multimerization, method for the production thereof, and detergents and cleansers containing these alpha-amylase variants BASF SE (DE) 2014-07-22 US disclosed
WO-2001072149-A1 WASHING OF FRUIT AND VEGETABLES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-10-04 WO disclosed
WO-2001062376-A1 MICROCAPSULES AND/OR NANOCAPSULES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-08-30 WO disclosed
WO-2001044434-A1 WASHING AGENT, RINSING AGENT OR CLEANING AGENT PORTIONS WITH ENZYME-CONTROLLED ACTIVE INGREDIENT RELEASE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-06-21 WO disclosed
WO-2001044433-A1 WASHING AGENT, RINSING AGENT OR CLEANING AGENT PORTIONS WITH CONTROLLED ACTIVE INGREDIENT RELEASE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-06-21 WO disclosed
WO-2001044421-A2 WASHING AGENT, RINSING AGENT OR CLEANING AGENT PORTIONS HAVING REDOX-CONTROLLED ACTIVE SUBSTANCE RELEASE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-06-21 WO disclosed
WO-2001044435-A1 WASHING AGENT, RINSING AGENT OR CLEANING AGENT PORTIONS WITH CONTROLLED ACTIVE INGREDIENT RELEASE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-06-21 WO disclosed
WO-2001021755-A1 MULTI-PHASE CLEANING AGENT WITH ANTI-MICROBIAL ACTION HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-03-29 WO disclosed
WO-2001014507-A1 TENSIDE COMPOSITION HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-03-01 WO disclosed
WO-2001010996-A1 NON-IONIC SURFACTANT BASED AQUEOUS MULTIPHASE CLEANING AGENT HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-02-15 WO disclosed
WO-2001007547-A1 CLEANSING AGENT FOR HARD SURFACES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-02-01 WO disclosed